SCHEMBL18754963

SCHEMBL18754963

CN[C@@H](C)C(=O)N[C@@H](CCCNC(=S)N(c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(O)N1CCC[C@H]1CN(CCc1ccccc1)C(=O)CCCC(=O)N(CCc1ccccc1)C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XIAP P98170 4/20 0.35
BIRC3 Q13489 4/20 0.35
BIRC2 Q13490 4/20 0.35
PRMT5 O14744 7/20 0.35
WDR77 Q9BQA1 7/20 0.35
ALB P02768 1/20 0.34
TSG101 Q99816 4/20 0.33
TACR2 P21452 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.32
MAP1LC3B Q9GZQ8 1/20 0.32
NR1H2 P55055 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13747486 0.84 PRMT5 (0.46) PRMT5WDR77TSG101NAALAD2MAP1LC3B
SCHEMBL10060515 0.84 PRMT5 (0.46) PRMT5WDR77TSG101NAALAD2MAP1LC3B
SCHEMBL14262326 0.83 PRMT5 (0.46) PRMT5WDR77TSG101NAALAD2MAP1LC3B
SCHEMBL13164737 0.82 PRMT5 (0.42) PRMT5WDR77TSG101NAALAD2MAP1LC3B
SCHEMBL11952927 0.79 PRMT5 (0.44) PRMT5WDR77TSG101NAALAD2MAP1LC3B
SCHEMBL10060330 0.79 PRMT5 (0.44) PRMT5WDR77TSG101NAALAD2MAP1LC3B
SCHEMBL13203414 0.77 PRMT5 (0.46) PRMT5WDR77TSG101NAALAD2MAP1LC3B
SCHEMBL12651696 0.75 TSG101 (0.38) XIAPBIRC3BIRC2PRMT5WDR77
SCHEMBL10060329 0.74 BIRC2 (0.48) XIAPBIRC3BIRC2
SCHEMBL13034324 0.73 BIRC2 (0.49) XIAPBIRC3BIRC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534170-B1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2017-04-19 EP disclosed